2-[(4-fluoranyl-1,3-benzothiazol-2-yl)-(4-piperidin-1-ylsulfonylphenyl)carbonyl-amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[(4-fluoranyl-1,3-benzothiazol-2-yl)-(4-piperidin-1-ylsulfonylphenyl)carbonyl-amino]ethyl-dimethyl-azanium Openeye Name: 2-[(4-fluoro-1,3-benzothiazol-2-yl)-[4-(1-piperidylsulfonyl)benzoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[(4-fluoro-1,3-benzothiazol-2-yl)-[oxo-[4-(1-piperidinylsulfonyl)phenyl]methyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[(4-fluoro-1,3-benzothiazol-2-yl)-(4-piperidin-1-ylsulfonylbenzoyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(4-fluoro-1,3-benzothiazol-2-yl)-(4-piperidinosulfonylbenzoyl)amino]ethyl-dimethyl-ammonium Formula: C23H28FN4O3S2+ MolecularWeight: 491.621823

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN(C1=NC2=C(C=CC=C2S1)F)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

C[NH+](C)CCN(C1=NC2=C(C=CC=C2S1)F)C(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C23H27FN4O3S2/c1-26(2)15-16-28(23-25-21-19(24)7-6-8-20(21)32-23)22(29)17-9-11-18(12-10-17)33(30,31)27-13-4-3-5-14-27/h6-12H,3-5,13-16H2,1-2H3/p+1